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N-[3-hydrazinyl-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]-4-,me

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摘 要: N-[3-hydrazinyl-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]-4-,methylbenzamide,Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)SC)C(=O)NN,InChI: InChI=1/C18H19N3O2S/c1-12-3-7-14(8-4-12)17(22)20-16(18(23)21-19)11-13-5-,9-15(24-2)10-6-13/h3
[Synonyms]

[Structure]
 N-[3-hydrazinyl-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]-4-,me

[ Properties Computed from Structure]
Molecular Weight341.42736 [g/mol]
Molecular FormulaC18H19N3O2S
XLogP3.2
H-Bond Donor3
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count4
Exact Mass341.119798
MonoIsotopic Mass341.119798
Topological Polar Surface Area84.2
Heavy Atom Count24
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[3-hydrazinyl-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]-4-
methylbenzamide
Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)SC)C(=O)NN
InChI: InChI=1/C18H19N3O2S/c1-12-3-7-14(8-4-12)17(22)20-16(18(23)21-19)11-13-5-
9-15(24-2)10-6-13/h3-11H,19H2,1-2H3,(H,20,22)(H,21,23)/f/h20-21H

 
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